Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Basic Description
| Synonyms | 1(3H)-Isobenzofuranone,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]- | 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone | 5',5''-Diisopropyl-2',2''-dimethylphenolphthalein | 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzof |
|---|---|
| Specifications & Purity | 0.05% |
| Shipped In | Normal |
AI Insight
Associated Targets(Human)
CYP2C9
Tchem
Cytochrome P450 2C9 (1 Activities)
ADRB2
Tclin
Beta-2 adrenergic receptor (11824 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GBA1
Tclin
Beta-glucocerebrosidase (14647 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALOX15B
Tchem
Arachidonate 15-lipoxygenase, type II (7244 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SLC2A1
Tchem
Glucose transporter (14755 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2D6
Tclin
Cytochrome P450 2D6 (33882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GLP1R
Tclin
Glucagon-like peptide 1 receptor (111429 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALOX15
Tchem
Arachidonate 15-lipoxygenase (7108 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP1A2
Tchem
Cytochrome P450 1A2 (26471 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2C9
Tchem
Cytochrome P450 2C9 (32119 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2C19
Tchem
Cytochrome P450 2C19 (29246 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TP53
Tchem
Cellular tumor antigen p53 (48468 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
A498 (42825 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ACHN (49357 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CAKI-1 (44928 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CCRF-CEM (65223 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
COLO 205 (50209 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
DU-145 (51482 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HL-60 (67320 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HT-29 (80576 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
K562 (73714 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
KM12 (47707 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
M14 (47487 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MCF7 (126967 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MOLT-4 (49676 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OVCAR-3 (48710 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OVCAR-4 (44535 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OVCAR-5 (45555 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OVCAR-8 (47708 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PC-3 (62116 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RPMI-8226 (44974 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RXF 393 (41971 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SF-295 (48000 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SK-MEL-2 (46422 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SK-MEL-28 (48833 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SK-MEL-5 (47095 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SK-OV-3 (52876 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SN12C (47755 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SNB-19 (46794 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TK-10 (45540 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
U-251 (51189 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
UACC-257 (46019 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
UACC-62 (47335 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
UO-31 (46270 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
786-0 (47912 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
A549 (127892 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NCI/ADR-RES (33767 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
T47D (39041 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
EKVX (44102 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NCI-H322M (45589 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Mc4r
Melanocortin receptor 4 (1205 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Streptococcus (3973 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Streptococcus sp. 'group A' (3417 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ht1
Hexose transporter 1 (14071 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Npsr1
Neuropeptide S receptor (260 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mapt
Microtubule-associated protein tau (6 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ska
Streptokinase A (5805 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NS1
Nonstructural protein 1 (33327 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one |
|---|---|
| INCHI | InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3 |
| InChi Key | LDKDGDIWEUUXSH-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O |
| Isomeric SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O |
| WGK Germany | 3 |
| PubChem CID | 31316 |
| Molecular Weight | 430.54 |
| Beilstein | 359413 |
| Reaxy-Rn | 359413 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | 251-253°C |
|---|---|
| Molecular Weight | 430.500 g/mol |
| XLogP3 | 6.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 430.214 Da |
| Monoisotopic Mass | 430.214 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Safety and Hazards(GHS)
| WGK Germany | 3 |
|---|---|
| Reaxy-Rn | 359413 |
| Merck Index | 9401 |
Specifications
Citations of This Product
| 1. Yao An, Zhaoxiang Yang, Yongjia Yang, Xinlei Li, Xinjia Zheng, Zhiwu Chen, Xun Wu, Beihang Xu, Yapei Wang, Yonglin He. (2023) Stretchable, Programmable and Magnet-Insensitive Protonic Display Based on Integrated Ionic Circuit. Small, 20 (11): (2308875). [PMID:37880900] [10.1002/smll.202308875] |
| 2. Jing Zhang, Xingjie Shang, Ying Zhu, Xuan Yang, Shu Wang, Feixiang Gong, Lei Wang, Hongpeng Ma. (2024) Pyrrolidinium-functionalized Cardo (TPM) poly(arylene ether sulfone)s membranes for acid recovery: The effects of Cardo (TPM) microstructures. JOURNAL OF MEMBRANE SCIENCE, 690 (2): (122205). [PMID:20625391] [10.1016/j.memsci.2023.122205] |
| 3. Yujie Zhu, Xinhong Zheng, Qiaoling Zeng, Rongbin Zhong, Yujing Guo, Feifei Shi, Peng Liang. (2023) The inhibitory effect of large yellow croaker roe phospholipid as a potential antioxidant on fish oil oxidation stability. Food Bioscience, 56 (8): (103291). [PMID:16787920] [10.1016/j.fbio.2023.103291] |
| 4. Yongwu He, Mo Chen, Jing Wang, Gaomei Zhao, Songling Han, Yang Xu, Yin Chen, Cheng Wang, Junping Wang. (2023) A Comprehensive Chemistry Experiment for Undergraduates to Investigate the Photodegradation of Organic Dyes by ZnO/GO Nanocomposite. JOURNAL OF CHEMICAL EDUCATION, 100 (9): (3556–3563). [PMID:] [10.1021/acs.jchemed.3c00172] |
| 5. Beibei Yang, Fei Chen, Yi Wang, Ting Deng, Xinxin Feng, Jishan Li. (2022) Colorimetric nano-beacon and magnetic separation-based rapid and visual assay for gram-negative bacteria. ANALYTICAL BIOCHEMISTRY, 655 (114824). [PMID:35944695] [10.1016/j.ab.2022.114824] |
| 6. Rui Duan, Chao Peng, Lu Sun, Lu-Xia Zhang, Chen-Chen Bai, Lin-Yi Dong, Xian-Hua Wang. (2021) Integrating boronate affinity controllable-oriented surface imprinting nylon wire and pH-triggered allochroic-graphene oxide for ultrasensitive detection of glycoprotein. SENSORS AND ACTUATORS B-CHEMICAL, 330 (129310). [PMID:] [10.1016/j.snb.2020.129310] |
References
| 1. Yao An, Zhaoxiang Yang, Yongjia Yang, Xinlei Li, Xinjia Zheng, Zhiwu Chen, Xun Wu, Beihang Xu, Yapei Wang, Yonglin He. (2023) Stretchable, Programmable and Magnet-Insensitive Protonic Display Based on Integrated Ionic Circuit. Small, 20 (11): (2308875). [PMID:37880900] [10.1002/smll.202308875] |
| 2. Jing Zhang, Xingjie Shang, Ying Zhu, Xuan Yang, Shu Wang, Feixiang Gong, Lei Wang, Hongpeng Ma. (2024) Pyrrolidinium-functionalized Cardo (TPM) poly(arylene ether sulfone)s membranes for acid recovery: The effects of Cardo (TPM) microstructures. JOURNAL OF MEMBRANE SCIENCE, 690 (2): (122205). [PMID:20625391] [10.1016/j.memsci.2023.122205] |
| 3. Yujie Zhu, Xinhong Zheng, Qiaoling Zeng, Rongbin Zhong, Yujing Guo, Feifei Shi, Peng Liang. (2023) The inhibitory effect of large yellow croaker roe phospholipid as a potential antioxidant on fish oil oxidation stability. Food Bioscience, 56 (8): (103291). [PMID:16787920] [10.1016/j.fbio.2023.103291] |
| 4. Yongwu He, Mo Chen, Jing Wang, Gaomei Zhao, Songling Han, Yang Xu, Yin Chen, Cheng Wang, Junping Wang. (2023) A Comprehensive Chemistry Experiment for Undergraduates to Investigate the Photodegradation of Organic Dyes by ZnO/GO Nanocomposite. JOURNAL OF CHEMICAL EDUCATION, 100 (9): (3556–3563). [PMID:] [10.1021/acs.jchemed.3c00172] |
| 5. Beibei Yang, Fei Chen, Yi Wang, Ting Deng, Xinxin Feng, Jishan Li. (2022) Colorimetric nano-beacon and magnetic separation-based rapid and visual assay for gram-negative bacteria. ANALYTICAL BIOCHEMISTRY, 655 (114824). [PMID:35944695] [10.1016/j.ab.2022.114824] |
| 6. Rui Duan, Chao Peng, Lu Sun, Lu-Xia Zhang, Chen-Chen Bai, Lin-Yi Dong, Xian-Hua Wang. (2021) Integrating boronate affinity controllable-oriented surface imprinting nylon wire and pH-triggered allochroic-graphene oxide for ultrasensitive detection of glycoprotein. SENSORS AND ACTUATORS B-CHEMICAL, 330 (129310). [PMID:] [10.1016/j.snb.2020.129310] |
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